ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate

C15H18N4O4S — CID 90530579

IUPACethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
SMILESCCOC(=O)CN1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
InChIInChI=1S/C15H18N4O4S/c1-3-22-13(20)8-19-5-4-10-12(7-19)24-15(16-10)17-14(21)11-6-9(2)23-18-11/h6H,3-5,7-8H2,1-2H3,(H,16,17,21)
InChIKeyFUBVHNMLAXNTPU-UHFFFAOYSA-N
MW350.40 g/mol
LogP1.61
Rot. Bonds5

About ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate

ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate (PubChem CID 90530579) has the molecular formula C15H18N4O4S and a molecular weight of 350.40 g/mol. Its IUPAC name is ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
PubChem CID90530579
Molecular FormulaC15H18N4O4S
Molecular Weight350.40 g/mol
Exact Mass350.10
IUPAC Nameethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
SMILESCCOC(=O)CN1CCc2nc(NC(=O)c3cc(C)on3)sc2C1
InChIInChI=1S/C15H18N4O4S/c1-3-22-13(20)8-19-5-4-10-12(7-19)24-15(16-10)17-14(21)11-6-9(2)23-18-11/h6H,3-5,7-8H2,1-2H3,(H,16,17,21)
InChIKeyFUBVHNMLAXNTPU-UHFFFAOYSA-N
XLogP1.61
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.40
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

benzyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90530580
5-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 16848015
ethyl 2-[2-(methoxycarbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate
CID 90529105
5-methyl-N-[5-[2-(3-methylanilino)-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530476
5-methyl-N-[5-[2-oxo-2-(2-phenylethylamino)ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530527
5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
N-[5-(ethylcarbamoyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530630
N-[5-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530524
5-methyl-N-[5-(2-phenylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530373
5-methyl-N-(5-pent-4-enoyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-1,2-oxazole-3-carboxamide
CID 90530266
N-[5-[2-(4-chlorophenoxy)acetyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-methyl-1,2-oxazole-3-carboxamide
CID 90530358
ethyl 2-[[2-[2-(pyrazine-2-carbonylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetyl]amino]acetate
CID 90527597

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate?
The IUPAC name of ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate (CID 90530579) is ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate.
What is the SMILES notation for ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate?
The canonical SMILES for ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate is CCOC(=O)CN1CCc2nc(NC(=O)c3cc(C)on3)sc2C1.
What is the InChIKey of ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate?
The InChIKey is FUBVHNMLAXNTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O4S/c1-3-22-13(20)8-19-5-4-10-12(7-19)24-15(16-10)17-14(21)11-6-9(2)23-18-11/h6H,3-5,7-8H2,1-2H3,(H,16,17,21).
What are the key properties of ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate?
ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate has a molecular weight of 350.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]acetate is sourced from PubChem (CID 90530579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).